The inclusion of the presence and flexibility of the CH2CH2OH end chain in the computation of the energy profile for single occupancy by Na+ of the gramicidin A channel modifies substantially the profile obtained without that chain. The binding site (deepest minimum) in the profile is situated at 10.5 Å from the center of the channel, in satisfactory agreement with the conclusions based on 13C‐NMR studies. The existence of an external minimum at the mouth is confirmed.
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Alberte Pullman (1984) studied this question.
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